Stepniak K, Patrykiejew A, Sokolowska Z, Sokolowski S
Department for the Modelling of Physico-Chemical Processes, Maria Curie-Sklodowska University, Lublin, 20031, Poland
J Colloid Interface Sci. 1999 Jun 1;214(1):91-100. doi: 10.1006/jcis.1999.6170.
Adsorption of associating particles interacting via the Lennard-Jones potential in slit-like pores is studied using the density functional theory. A model of association with one site per particle is considered. Capillary phase diagrams for three values of the association energy are evaluated. We show that the association shifts the entire diagram toward higher temperatures. The critical average densities of the confined fluid, however, are almost independent of the association energy. Our results also demonstrate that the association significantly influences the layering transitions. Copyright 1999 Academic Press.
利用密度泛函理论研究了在狭缝状孔隙中通过 Lennard-Jones 势相互作用的缔合粒子的吸附。考虑了每个粒子有一个位点的缔合模型。评估了三种缔合能值的毛细管相图。我们表明缔合将整个相图向更高温度移动。然而，受限流体的临界平均密度几乎与缔合能无关。我们的结果还表明缔合对分层转变有显著影响。版权所有 1999 年学术出版社。
